(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

C19H30N2O2 — CID 98810834

IUPAC(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-14-19-9-5-11-22-18(19)8-10-21(13-19)12-17-7-4-6-16(3)20-17/h4,6-7,15,18H,5,8-14H2,1-3H3/t18-,19-/m0/s1
InChIKeyZBZVUIRSKQEMEE-OALUTQOASA-N
MW318.46 g/mol
LogP3.19
Rot. Bonds5

About (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 98810834) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID98810834
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-14-19-9-5-11-22-18(19)8-10-21(13-19)12-17-7-4-6-16(3)20-17/h4,6-7,15,18H,5,8-14H2,1-3H3/t18-,19-/m0/s1
InChIKeyZBZVUIRSKQEMEE-OALUTQOASA-N
XLogP3.19
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 98810834) is (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is Cc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1.
What is the InChIKey of (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is ZBZVUIRSKQEMEE-OALUTQOASA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)23-14-19-9-5-11-22-18(19)8-10-21(13-19)12-17-7-4-6-16(3)20-17/h4,6-7,15,18H,5,8-14H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
(4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 318.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-4a-(propan-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 98810834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).